Compound Detail
CHEMBL2441268
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2441268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADLGFXXJNWPIRR-XUTJKUGGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
5.75
ALogP
7
HBA
3
HBD
83.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | Ki | = | 19952.62 | nM | 4.7 | Inhibition of Aurora-B (unknown origin) using 5FAM-PKAtide as substrate after 12... | 24900590 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900590 | 10.1021/ml400206q | Aurora kinase B | 1 |
| 24900590 | 10.1021/ml400206q | Tyrosine-protein kinase Lck | 1 |
| 24900590 | 10.1021/ml400206q | Tyrosine-protein kinase ITK/TSK | 1 |
Data from ChEMBL 36 via Core Engine